[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

C26H27ClN6O2 — CID 153475165

About [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 153475165) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
• PubChem CID: 153475165
• Molecular Formula: C26H27ClN6O2
• Molecular Weight: 491.00 g/mol
• Exact Mass: 490.19
• IUPAC Name: [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
• SMILES: CC(C)c1ocnc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2
• InChI: InChI=1S/C26H27ClN6O2/c1-16(2)24-23(29-15-35-24)25(34)33-19-8-9-20(33)13-31(12-19)14-21-22(17-4-6-18(27)7-5-17)30-26-28-10-3-11-32(21)26/h3-7,10-11,15-16,19-20H,8-9,12-14H2,1-2H3
• InChIKey: UHTJGZXPGMCUFT-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 79.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.00
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?

The IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 153475165) is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

What is the SMILES notation for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?

The canonical SMILES for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2.

What is the InChIKey of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?

The InChIKey is UHTJGZXPGMCUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-16(2)24-23(29-15-35-24)25(34)33-19-8-9-20(33)13-31(12-19)14-21-22(17-4-6-18(27)7-5-17)30-26-28-10-3-11-32(21)26/h3-7,10-11,15-16,19-20H,8-9,12-14H2,1-2H3.

What are the key properties of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 491.00 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 153475165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).